MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003893
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003893
RECORD_TITLE: SUCCINIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: SUCCINIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H6O4
CH$EXACT_MASS: 118.02661
CH$SMILES: OC(=O)CCC(O)=O
CH$IUPAC: InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
CH$LINK: INCHIKEY
KDYFGRWQOYBRFD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6023602
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-9000000000-93b4807ae6275a3e59d7
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
17 6.3 63
18 27.5 275
25 3.3 33
26 1.6 16
27 15.5 155
28 99.99 999
29 4.6 46
32 0.25 3
36 2.7 27
41 2.8 28
42 3.1 31
43 0.29 3
44 2.9 29
53 2.8 28
55 4 40
56 4.43 44
57 3.2 32
73 3.1 31
74 1.8 18
100 2.6 26
//